Karaush N. A study of the aromaticity and spectral properties of heteroannelated cyclooctatetraenes taking into account vibronic effects

The thesis is devoted to the research of aromaticity, electronic and spectral properties of the partially and fully heteroannelated cyclooctatetraenes and cross-linked polymers based on tetraoxa[8]circulenes in context of their nanophotonics and photovoltaics applications. It is shown in the thesis, that all studied heteroannelated cyclooctatetraene molecules have antiaromatic inner eight-membered cycle due to the high paratropic contribution, while the aromatic character of annelated part is caused by diatropic ring current. As a result, the studied molecules can be considered as non-aromatic compounds in which diatropic and paratropic ring currents mutually compensate each other.